methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate

C16H30O3 — CID 79299214

IUPACmethyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate
SMILESCCCC1CCCC(C(O)(C(=O)OC)C(C)C)CC1
InChIInChI=1S/C16H30O3/c1-5-7-13-8-6-9-14(11-10-13)16(18,12(2)3)15(17)19-4/h12-14,18H,5-11H2,1-4H3
InChIKeyMPCWWHUPOXYLRS-UHFFFAOYSA-N
MW270.41 g/mol
LogP3.54
Rot. Bonds5

About methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate

methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate (PubChem CID 79299214) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate
PubChem CID79299214
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namemethyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate
SMILESCCCC1CCCC(C(O)(C(=O)OC)C(C)C)CC1
InChIInChI=1S/C16H30O3/c1-5-7-13-8-6-9-14(11-10-13)16(18,12(2)3)15(17)19-4/h12-14,18H,5-11H2,1-4H3
InChIKeyMPCWWHUPOXYLRS-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyl-2-hydroxy-3-methylbutanoic acid
CID 81251876
methyl 4-[(4-propylcycloheptyl)amino]butanoate
CID 65091252
dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517
methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
methyl 2-(2-cyclobutylethoxy)propanoate
CID 106199364
methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
CID 79624157
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
(4-propylcyclohexyl)methyl 2-methylpropanoate
CID 175906302
2-hydroxy-2-(4-propylcyclohexyl)butanoic acid
CID 79304063
N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091481
4-propylcycloheptan-1-ol
CID 15687798
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate?
The IUPAC name of methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate (CID 79299214) is methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate.
What is the SMILES notation for methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate?
The canonical SMILES for methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate is CCCC1CCCC(C(O)(C(=O)OC)C(C)C)CC1.
What is the InChIKey of methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate?
The InChIKey is MPCWWHUPOXYLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3/c1-5-7-13-8-6-9-14(11-10-13)16(18,12(2)3)15(17)19-4/h12-14,18H,5-11H2,1-4H3.
What are the key properties of methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate?
methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate has a molecular weight of 270.41 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-methyl-2-(4-propylcycloheptyl)butanoate is sourced from PubChem (CID 79299214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).